Supramolecular complexes of advanced oxide materials precursors

• Grant number: 11/02245-5
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: May 01, 2011
• End date: December 31, 2011
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Francisco Carlos Lavarda
• Grantee: Rodrigo Marques Ferreira
• Host Institution: Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil

Abstract

Advanced oxide materials performance, e.g., high-Tc superconducting ceramics, is directly connected with their synthesis route, which has several phases. The intermediate processes are not well known and it's believed that a better understanding of it can help to improve the sample quality. The objective is to study theoretically the formation of citric acid and metal complexes with metals like lithium, barium, yttrium and copper through electronic structure calculations for the stable configurations followed by simulations to compare with infrared and Raman spectroscopy data. (AU)